Sugi Predict

Sugi Predict / Compounds / SCHEMBL521041

SCHEMBL521041

SCHEMBL521041

O=S(=O)(OC1=CC2CCC(C1)N2Cc1ccccc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.36
▸ DRD4 P21917 3/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD1 P21728 2/20 0.36
▸ DRD5 P21918 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3648918 0.85 RECQL (0.38) KMT2AL3MBTL1SIGMAR1CHRM2CHRM4
SCHEMBL17304077 0.85 KMT2A (0.34) DRD2DRD4DRD3DRD1DRD5
SCHEMBL19288286 0.81 SIGMAR1 (0.36) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL17354971 0.80 KMT2A (0.35) DRD2DRD4DRD3KMT2AL3MBTL1
SCHEMBL1631113 0.80 SMN1; SMN2 (0.39) KMT2AOPRK1
SCHEMBL21979861 0.78 PDK1 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL21979997 0.78 PDK1 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL21979859 0.78 PDK1 (0.36) DRD2DRD4DRD3DRD1DRD5
SCHEMBL12094668 0.78 HTR2C (0.41) KMT2A
SCHEMBL4781309 0.78 KMT2A (0.38) KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-15 — — US disclosed
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 — — US disclosed
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-01-28 — — US disclosed
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-10 — — US disclosed
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-01 — — US disclosed
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-13 — — US disclosed
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-04-25 — — US disclosed
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-09-25 — — US disclosed
EP-3037420-B1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-09-12 — — EP disclosed
WO-2009029256-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 — — WO disclosed
WO-2009029256-A1 8-AZABICYCLO[3.2.1]OCTYL-2-HYDROXYBENZAMIDE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-03-05 — — WO disclosed
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-05 — — US disclosed
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-05 — — US disclosed
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-03-05 — — US disclosed
WO-2009014610-A2 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2009-01-29 — — WO disclosed
US-20090023934-A1 Process for preparing an intermediate to opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-01-22 — — US disclosed
WO-2008106159-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND THERAVANCE, INC. (US) 2008-09-04 — — WO disclosed
US-20080207676-A1 Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-28 — — US disclosed
US-20070219278-A1 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-20210024515-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-10377751-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-20190119267-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound OPRM1, SIGMAR1, OPRD1 DRD2 587/4885DRD4 1033/4885DRD3 342/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-20230183232-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-20080207676-A1 Crystalline forms of an 8-Azabicyclo(3.2.1)octane compound OPRM1, SIGMAR1, OPRD1 DRD2 597/4885DRD4 1070/4885DRD3 354/4885
US-10081626-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-20090023934-A1 Process for preparing an intermediate to opioid receptor antagonists OPRD1, OPRM1, OPRK1 DRD2 83/4885DRD4 247/4885DRD3 123/4885
US-11548887-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 121/4885DRD4 380/4885DRD3 108/4885
US-20070219278-A1 3-Endo-(8-{2-[cyclohexylmethyl-(2-hydroxyacetyl)-amino]-ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-benzamide; for treating condition associated with mu opioid receptor activity, e.g. a disorder of reduced motility of gastrointestinal tract such as opioid-induced bowel dysfunction and post-operative ileus OPRM1, OPRD1, OGFR DRD2 315/4885DRD4 988/4885DRD3 317/4885
US-20090062333-A1 8-azabicyclo[3.2.1]octyl-2-hydroxybenzamide compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 DRD2 120/4885DRD4 308/4885DRD3 295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.